Chemical identity

16-Dehydropregnolone

CAS 1162-53-4 · C21H30O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-04207
PubChem CID92871
Name16-Dehydropregnolone
CAS RN1162-53-4
Molecular formulaC21H30O2
Molecular weight314.46 g/mol
IUPAC name1-((3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1Hcyclopenta[a]phenanthren-17-yl)ethanone
InChIKeyYLFRRPUBVUAHSR-RRPFGEQOSA-N

02Structure identifiers

2D structurePubChem CID 92871
Two-dimensional chemical structure of 16-Dehydropregnolone, CAS 1162-53-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChINot listed
Formula from structureC21H30O2
Molecular weight from structure314.46 g/mol

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1162-53-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1162-53-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

ALGESTONE

View API and impurity family

Other names

  • 16-Dehydropregnenolone
  • 1162-53-4
  • 16-Dehydropregnolone
  • 3beta-Hydroxypregna-5,16-dien-20-one
  • 16,17-Didehydropregnenolone
  • delta16-Pregnenolone
  • (-)-Pregnadienolone
  • Pregna-5,16-dien-20-one, 3-hydroxy-, (3beta)-
  • (3beta)-3-hydroxypregna-5,16-dien-20-one
  • 5,16-Pregnadien-3beta-ol-20-one
  • NSC-15467
  • 1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources